Einstein Cluster

Topic outline

General

The Einstein cluster can be accessed using either simple ssh or by NXClient. If you are interested in using applications on Einstein please contact Dr. Karimi of the Physics department.

The following pages describe how to use some of the applications available on Einstein.

Siesta

Siesta

SIESTA is both a method to
perform efficient electronic structure calculations and ab initio
molecular dynamics simulations of molecules and solids. SIESTA's
efficiency stems from the use of strictly localized basis sets and
from the implementation of linear-scaling algorithms which can be
applied to suitable systems.

SIESTA require an input file in fdf format. Some examples and a batch submission script are provided below.

Quantum Espresso

Quantum Espresso s an integrated suite of Open-Source computer codes for
electronic-structure calculations and materials modeling at the
nanoscale.
It is based on density-functional theory, plane waves, and
pseudopotentials.